N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine

C11H21NO2 — CID 82835850

IUPACN-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCC1CCC(CNCC2CCOC2)O1
InChIInChI=1S/C11H21NO2/c1-9-2-3-11(14-9)7-12-6-10-4-5-13-8-10/h9-12H,2-8H2,1H3
InChIKeyZDWAZCGCGYBQCL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.18
Rot. Bonds4

About N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine

N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 82835850) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID82835850
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCC1CCC(CNCC2CCOC2)O1
InChIInChI=1S/C11H21NO2/c1-9-2-3-11(14-9)7-12-6-10-4-5-13-8-10/h9-12H,2-8H2,1H3
InChIKeyZDWAZCGCGYBQCL-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 81102550
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 81330041
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 82836649
1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
CID 106120936
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 61038711
N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 82835456
2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836481
N-[(5-methyloxolan-2-yl)methyl]oxan-4-amine
CID 82834063
N-[[(2R,5R)-5-methyloxolan-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
CID 100620811
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 93449844

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine (CID 82835850) is N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine is CC1CCC(CNCC2CCOC2)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is ZDWAZCGCGYBQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-2-3-11(14-9)7-12-6-10-4-5-13-8-10/h9-12H,2-8H2,1H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 199.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 82835850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).